2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C16H21N3O — CID 24908513

IUPAC2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1ccco1)C2
InChIInChI=1S/C16H21N3O/c1-16(2,3)15-17-9-12-10-19(7-6-14(12)18-15)11-13-5-4-8-20-13/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyJIQPEUYXNKIDGL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds2

About 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908513) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24908513
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1ccco1)C2
InChIInChI=1S/C16H21N3O/c1-16(2,3)15-17-9-12-10-19(7-6-14(12)18-15)11-13-5-4-8-20-13/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyJIQPEUYXNKIDGL-UHFFFAOYSA-N
XLogP2.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917392
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
CID 24912878
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914264
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915629
2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912563
2-tert-butyl-6-[(2-chloro-3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929051

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908513) is 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CCN(Cc1ccco1)C2.
What is the InChIKey of 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JIQPEUYXNKIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)15-17-9-12-10-19(7-6-14(12)18-15)11-13-5-4-8-20-13/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 271.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).